(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide

C17H22N4O3 — CID 95338904

IUPAC(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1cccc(-c2cnco2)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H22N4O3/c1-11(15(22)21-17(2,3)4)19-16(23)20-13-7-5-6-12(8-13)14-9-18-10-24-14/h5-11H,1-4H3,(H,21,22)(H2,19,20,23)/t11-/m0/s1
InChIKeyNEQUXVBJNJHWER-NSHDSACASA-N
MW330.39 g/mol
LogP2.77
Rot. Bonds4

About (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide

(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide (PubChem CID 95338904) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide
PubChem CID95338904
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1cccc(-c2cnco2)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H22N4O3/c1-11(15(22)21-17(2,3)4)19-16(23)20-13-7-5-6-12(8-13)14-9-18-10-24-14/h5-11H,1-4H3,(H,21,22)(H2,19,20,23)/t11-/m0/s1
InChIKeyNEQUXVBJNJHWER-NSHDSACASA-N
XLogP2.77
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
N-tert-butyl-2-[(3-cyanophenyl)carbamoylamino]propanamide
CID 47075829
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60926904
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
2-(methylamino)-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylpropanamide
CID 123157870

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide (CID 95338904) is (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide is C[C@H](NC(=O)Nc1cccc(-c2cnco2)c1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide?
The InChIKey is NEQUXVBJNJHWER-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(15(22)21-17(2,3)4)19-16(23)20-13-7-5-6-12(8-13)14-9-18-10-24-14/h5-11H,1-4H3,(H,21,22)(H2,19,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide?
(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide has a molecular weight of 330.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 95338904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).